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CAS Number: 35856-00-9
adamantane-2-carbonitrile

Structure

 adamantane-2-carbonitrile
Name: adamantane-2-carbonitrile
Synonyms:
General Information
Product Number: 35856009

CAS Registry Number 35856-00-9
Name:
Tricyclo[3.3.1.13,?7]?decane-?2-?carbonitrile
2-Adamantanecarbonitrile
2-Cyanoadamantane

 

Chemical Formula: C11H15N
Exact Mass: 161.12
Molecular Weight: 161.24
m/z: 161.12 (100.0%), 162.12 (12.3%)

 

InChI:InChI=1S/C11H15N/c12-6-11-9-2-7-1-8(4-9)5-10(11)3-7/h7-11H,1-5H2

InChI Key:KHCMWKSXPURXRL-UHFFFAOYSA-N

Canonical SMILES:C1C2CC3CC1CC(C2)C3C#N

 

Thermal Properties Value Condition Note
Melting Point 177 °C Solv: hexane (110-54-3) (3)CAS
Melting Point 170-180 °C   (4)IC

Specification

98%
References
  1. (3) Zoidis, Grigoris; Antiviral Chemistry & Chemotherapy 2003, V14(3), P153-164 CAPLUS
  2. (4) Kanishchev, M. I.; Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya 1979, (11), P2515-21 CAPLUS
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